3-({Bis[(2-Chloroethyl)Amino]Phosphoryl}Oxy)-1,1-Propanediyl Diacetate

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Properties Simple | Detailed

Formula C11H21Cl2N2O6P
IUPAC Name [1-acetoxy-3-bis(2-chloroethylamino)phosphoryloxy-propyl] acetate
Molecular Mass 379.174 g·mol−1
Heat of Formation -1491.2 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 411.06 Å 3
Surface Area 337.58 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3-bis(acetyloxy)propyl n,n'-bis(2-chloroethyl)phosphorodiamidate
  • [1-acetyloxy-3-bis(2-chloroethylamino)phosphoryloxy-propyl] ethanoate
  • acetaldoifosphamide
  • acetic acid [1-acetoxy-3-bis(2-chloroethylamino)phosphoryloxy-propyl] ester
  • acetic acid [1-acetoxy-3-bis(2-chloroethylamino)phosphoryloxypropyl] ester
  • phosphorodiamidic acid, n,n'-bis(2-chloroethyl)-, 3,3-bis(acetyloxy)propyl ester
CAS Number(s)
  • 132432-63-4
InChIKey TXUKQFRFZDNXDO-UHFFFAOYSA-N
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Elements C Cl H O N P